N-(4-ethoxyphenyl)-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-(3-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(3-fluorophenyl)sulfonyl-N-p-phenetyl-piperazine-1-carbothioamide Formula: C19H22FN3O3S2 MolecularWeight: 423.524683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H22FN3O3S2/c1-2-26-17-8-6-16(7-9-17)21-19(27)22-10-12-23(13-11-22)28(24,25)18-5-3-4-15(20)14-18/h3-9,14H,2,10-13H2,1H3,(H,21,27)